N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1-[(9Z,12Z)-octadeca-9,12-dienoxy]-3-[(9E,12E)-octadeca-9,12-dienoxy]propan-2-amine

Systemtic Name: N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1-[(9Z,12Z)-octadeca-9,12-dienoxy]-3-[(9E,12E)-octadeca-9,12-dienoxy]propan-2-amine Openeye Name: N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1-[(9Z,12Z)-octadeca-9,12-dienoxy]-3-[(9E,12E)-octadeca-9,12-dienoxy]propan-2-amine CAS Name: N-[[3-[(4-methyl-1-piperazinyl)methyl]phenyl]methyl]-1-[(9Z,12Z)-octadeca-9,12-dienoxy]-3-[(9E,12E)-octadeca-9,12-dienoxy]-2-propanamine IUPAC Name: N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1-[(9Z,12Z)-octadeca-9,12-dienoxy]-3-[(9E,12E)-octadeca-9,12-dienoxy]propan-2-amine Traditional Name: [3-[(4-methylpiperazino)methyl]benzyl]-[2-[(9Z,12Z)-octadeca-9,12-dienoxy]-1-[[(9E,12E)-octadeca-9,12-dienoxy]methyl]ethyl]amine Formula: C52H91N3O2 MolecularWeight: 790.29784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCCOCC(COCCCCCCCCC=CCC=CCCCCC)NCC1=CC=CC(=C1)CN2CCN(CC2)C

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCCOCC(COCCCCCCCC/C=C\C/C=C\CCCCC)NCC1=CC=CC(=C1)CN2CCN(CC2)C

InChI

InChI=1S/C52H91N3O2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-43-56-48-52(53-46-50-37-36-38-51(45-50)47-55-41-39-54(3)40-42-55)49-57-44-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h12-15,18-21,36-38,45,52-53H,4-11,16-17,22-35,39-44,46-49H2,1-3H3/b14-12-,15-13+,20-18-,21-19+